Basic information
- CAS
1878-55-3- Standard SMILES
CC(C)(C)c1cccc(OCC(=O)O)c1- InChIKey
TZCJVGQCSABBGD-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(3-Tert-butylphenoxy)acetic acid
- IUPAC
- 2-(3-tert-butylphenoxy)acetic acid
- English name
- [3-(1,1-dimethylethyl)phenoxy]acetic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
2-(3-tert-butylphenoxy)acetic acid1878-55-3(3-tert-butylphenoxy)acetic acid[3-(1,1-Dimethylethyl)phenoxy]acetic acid(3-(1,1-Dimethylethyl)phenoxy)acetic acid2-(3-(tert-butyl)phenoxy)acetic acid2-[3-(tert-Butyl)phenoxy]acetic AcidM-T-BUTYLPHENOXYACETIC ACIDEINECS 217-519-5SCHEMBL1986392SCHEMBL30831879DTXSID40876882
Show more names
Acetic acid, 2-[3-(1,1-dimethylethyl)phenoxy]-
TZCJVGQCSABBGD-UHFFFAOYSA-N2-(3-tert-butylphenoxy)aceticacidBAA87855MFCD02727892AKOS000125434SY171297CS-0245101NS00045825
Database identifiers
- CAS
1878-55-3- PubChem CID
- 74652
- DTXSID
DTXSID40876882- EC Number
- 217-519-5
- Nikkaji
- J199.692D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
LogP2.96
Physicochemical properties
- Melting point
- 116.5 °C · 116.5 °C
- Boiling point
- 320.3 · 320.3±25.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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